(3S,4S)-3-(4-hydroxyphenyl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid

Systemtic Name: (3S,4S)-3-(4-hydroxyphenyl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid Openeye Name: (3S,4S)-3-(4-hydroxyphenyl)-1-oxo-isochromane-4-carboxylic acid CAS Name: (3S,4S)-3-(4-hydroxyphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid IUPAC Name: (3S,4S)-3-(4-hydroxyphenyl)-1-oxo-3,4-dihydroisochromene-4-carboxylic acid Traditional Name: (3S,4S)-3-(4-hydroxyphenyl)-1-keto-isochroman-4-carboxylic acid Formula: C16H12O5 MolecularWeight: 284.26348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(OC2=O)C3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H]([C@H](OC2=O)C3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C16H12O5/c17-10-7-5-9(6-8-10)14-13(15(18)19)11-3-1-2-4-12(11)16(20)21-14/h1-8,13-14,17H,(H,18,19)/t13-,14+/m0/s1